Cas no 198135-28-3 (ethyl-methyl-5-methyl-3,4-isoxazole dicarboxylate)
198135-28-3 structure
Product Name:ethyl-methyl-5-methyl-3,4-isoxazole dicarboxylate
CAS No:198135-28-3
MF:C9H11NO5
MW:213.187342882156
CID:908434
PubChem ID:5325762
Update Time:2025-04-19
ethyl-methyl-5-methyl-3,4-isoxazole dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- ethyl-methyl-5-methyl-3,4-isoxazole dicarboxylate
- 3-O-ethyl 4-O-methyl 5-methyl-1,2-oxazole-3,4-dicarboxylate
- 3,4-Isoxazoledicarboxylic acid,5-methyl-,3-ethyl 4-methyl ester
- 5-methylisoxazole-3,4-dicarboxylic acid-3-ethyl-4-methyl ester
- 3,4-Isoxazoledicarboxylic acid, 5-Methyl-, 3-ethyl 4-Methyl ester
- 198135-28-3
- InChI=1/C9H11NO5/c1-4-14-9(12)7-6(8(11)13-3)5(2)15-10-7/h4H2,1-3H
- DTXSID60416047
- 3-Ethyl 4-methyl 5-methylisoxazole-3,4-dicarboxylate
-
- Inchi： 1S/C9H11NO5/c1-4-14-9(12)7-6(8(11)13-3)5(2)15-10-7/h4H2,1-3H3
- InChI Key： HSIQYPVEKFLRCQ-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(=O)OC)C(C(=O)OCC)=N1
Computed Properties
- Exact Mass: 213.06400
- Monoisotopic Mass: 213.06372245g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 255
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 78.6?2
Experimental Properties
- Density: 1.225
- Boiling Point: 283.8°C at 760 mmHg
- Flash Point: 125.5°C
- Refractive Index: 1.482
- PSA: 78.63000
- LogP: 0.94630
ethyl-methyl-5-methyl-3,4-isoxazole dicarboxylate Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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